N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 2971764

IUPACN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22)
InChIKeyFTSHWWMFRCWPLM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.67
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2971764) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2971764
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22)
InChIKeyFTSHWWMFRCWPLM-UHFFFAOYSA-N
XLogP2.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 2971764) is N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FTSHWWMFRCWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2971764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).